[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone

C15H13BrClNO — CID 67860624

IUPAC[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone
SMILESCCNc1c(Br)ccc(C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H13BrClNO/c1-2-18-14-12(16)9-8-11(13(14)17)15(19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3
InChIKeyRMHLXOCKCRDQAR-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.77
Rot. Bonds4

About [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone

[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone (PubChem CID 67860624) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone
PubChem CID67860624
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone
SMILESCCNc1c(Br)ccc(C(=O)c2ccccc2)c1Cl
InChIInChI=1S/C15H13BrClNO/c1-2-18-14-12(16)9-8-11(13(14)17)15(19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3
InChIKeyRMHLXOCKCRDQAR-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone?
The IUPAC name of [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone (CID 67860624) is [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone?
The canonical SMILES for [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone is CCNc1c(Br)ccc(C(=O)c2ccccc2)c1Cl.
What is the InChIKey of [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone?
The InChIKey is RMHLXOCKCRDQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-2-18-14-12(16)9-8-11(13(14)17)15(19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3.
What are the key properties of [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone?
[4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone has a molecular weight of 338.63 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-chloro-3-(ethylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 67860624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).